Structure of PDB 7skm Chain C Binding Site BS02

Receptor Information
>7skm Chain C (length=300) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AAATGTGKGVLGDTKDININSIDGGFSLEDLTHQGKLSAYNFNDQTGQAT
LITNEDENFVKDDQRAGVDANYYAKQTYDYYKNTFGRESYDNHGSPIVSL
THVNHYGGQDNRNNAAWIGDKMIYGDGDGRTFTNLSGANDVVAHELTHGV
TQETANLEYKDQSGALNESFSDVFGYFVDDEDFLMGEDVYTPGKEGDALR
SMSNPEQFGQPSHMKDYVYTEKDNGGVHTNSGIPNKAAYNVIQAIGKSKS
EQIYYRALTEYLTSNSNFKDCKDALYQAAKDLYDEQTAEQVYEAWNEVGV
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain7skm Chain C Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7skm Structural evidence for standard-mechanism inhibition in metallopeptidases from a complex poised to resynthesize a peptide bond.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		Y398 T399 K402 D405
Binding residue
(residue number reindexed from 1)		Y190 T191 K194 D197
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.24.29: aureolysin.
Gene Ontology
Molecular Function
GO:0004222 metalloendopeptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:7skm, PDBe:7skm, PDBj:7skm
PDBsum7skm
PubMed
UniProtP81177|AURE_STAAU Zinc metalloproteinase aureolysin (Gene Name=aur)

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